#!/usr/bin/env python
# coding: utf-8
# Distributed under the terms of the MIT License.

"""
A master convenience script with different functions enabled through argparse
"""

import argparse
import sys
import itertools

from FPTE.FPTE_Result_Stress_2nd import fpte_results
from FPTE.FPTE_Setup_VASP import fpte_setup 
from FPTE.FPTE_clean import fpte_clean 
from FPTE.FPTE_Analyze_Stress import fpte_analyze 
from FPTE.FPTE_RMSD import fpte_rmsd
from FPTE import __version__


def main():
    """
    Handle main.
    """
    parser = argparse.ArgumentParser(
        description="""
    The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation.
    Features include, but are not limited to stress-strain method for getting second order elastic tensors using
    DFT package VASP as well as, ab initio molecular dynamic method for temperature dependent elastic constatns.
    The package is free and ... \
    \
    This script works with several options. To see the options type "FPTE -h".""",
        epilog="""Version: {}""".format(__version__)
    )

    parser.add_argument("-s", "--setup", 
                        action='store_true', dest='setup', default=False,
                        help="setup is the first step for the elastic constant calculation."
                        "you can create the deformed structures and start the calculations.")

    parser.add_argument("-a", "--analyze", 
                        action='store_true', dest='analyze', default=False,
                        help="this tool is for analyses of the collected stresses for different strained structures"
                        "if you are running finite temperature, it may take a moment for ensemble averaging of all the MD steps.")

    parser.add_argument("-r", "--results", 
                    action='store_true', dest='results', default=False,
                    help="Finally you need to run --results to get all the calculated Cij" 
                        "along with aggredated properties, i.e., bulk and shear moduli, etc.")

    parser.add_argument("-c", "--clean", 
                action='store_true', dest='clean', default=False,
                help="this cleans the calculation folder and makes it ready to re-submit the job.")
    
    parser.add_argument("-e", "--rmsd", 
            action='store_true', dest='rmsd', default=False,
            help="this tool calculates and plots the root mean square displacement in the AIMD runs.")
            

    try:
        import argcomplete
        argcomplete.autocomplete(parser)
    except ImportError:
        # argcomplete not present.
        pass

    args = parser.parse_args()

    # try:
    #     getattr(args, "analyze")
    # except AttributeError:
    #     parser.print_help()
    #     sys.exit(0)

    if args.results: 
        fpte_results()
    elif args.analyze:
        fpte_analyze()
    elif args.setup:
        fpte_setup()
    elif args.clean:
        fpte_clean()
    elif args.rmsd:
        fpte_rmsd()


if __name__ == "__main__":
    main()
